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Information card for entry 7220914
Preview
| Coordinates | 7220914.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4 |
|---|---|
| Formula | C37.5 H29 N6.5 O6 Zn |
| Calculated formula | C37.5 H29 N6.5 O6 Zn |
| Title of publication | Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands |
| Authors of publication | Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 30 |
| Pages of publication | 5717 |
| a | 25.9109 ± 0.001 Å |
| b | 18.3337 ± 0.0007 Å |
| c | 14.7137 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6989.6 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.2049 |
| Residual factor for significantly intense reflections | 0.0994 |
| Weighted residual factors for significantly intense reflections | 0.2115 |
| Weighted residual factors for all reflections included in the refinement | 0.2613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7220914.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220914.cif |
| 153094 | 2015-08-08 | cif/ Updating files of 7220910, 7220911, 7220912, 7220913, 7220914, 7220915 Original log message: Adding full bibliography for 7220910--7220915.cif. |
7220914.cif |
| 139791 | 2015-06-30 | cif/ Adding structures of 7220910, 7220911, 7220912, 7220913, 7220914, 7220915 via cif-deposit CGI script. |
7220914.cif |
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Users of the data should acknowledge the original authors of the
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